2-Hexadecenoic acid, methyl ester, (E)-

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  • Identifiers

    CAS number
    2825-81-2

    Molecular formula
    C17H32O2

    SMILES
    CCCCCCCCCCCCC/C=C/C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 83.68%
    Waxy 66.8%
    Oily 58.6%
    Fruity 51.08%
    Dairy 34.73%
    Citrus 33.97%
    Green 33.85%
    Creamy 30.27%
    Sweet 29.57%
    Milky 28.77%

     

    Flavor
    Waxy 58.53%
    Fatty 40.93%
    Oily 39.26%
    Fruity 33.34%
    Soapy 32.26%
    Mild 30.21%
    Creamy 28.41%
    Fat 28.06%
    Sweet 27.33%
    Faint 25.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.19 (neutral)

    Molecular weight
    268.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 146.98 ˚C est.

  • Synonyms

    • 2-Hexadecenoic acid, methyl ester, (E)-
    • 2825-81-2
    • RefChem:1063276
    • methyl hexadecenoate
    • Methyl trans-2-hexadecenoate
    • Hexadecenoic acid, methyl ester
    • 2-Hexadecenoic acid methyl ester
    • METHYL (2E)-HEXADEC-2-ENOATE
    • Methyl (2E)-2-hexadecenoate
    • SCHEMBL3710791
    • Methyl (2E)-2-hexadecenoate #
    • ODPLFJYILBATKC-FOCLMDBBSA-N
    • DTXSID901016641
    • 29960-49-4
    • Q63398278
    • 2825-81-2

  • Applications

    2-Hexadecenoic acid, methyl ester, (E)- (CAS 2825-81-2) is a long-chain fatty acid methyl ester used as a feedstock for biodiesel production and as a processing component in industrial formulations; it also serves as a lubricant additive and a plasticizer for polymers, contributing to flexibility and lubricity; in cosmetics and personal care it can function as an emollient and solvent, while in fragrance and flavor applications it may be employed as a component or carrier for long-chain notes; additionally, it is encountered as a chemical intermediate for the synthesis of specialty esters. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 290.41
    methanol 208.42
    isopropanol 381.23
    water 0.01
    ethyl acetate 1094.62
    n-propanol 345.41
    acetone 871.16
    n-butanol 394.78
    acetonitrile 287.85
    DMF 912.45
    toluene 412.21
    isobutanol 332.84
    1,4-dioxane 957.27
    methyl acetate 563.56
    THF 2167.03
    2-butanone 988.56
    n-pentanol 302.1
    sec-butanol 428.38
    n-hexane 158.97
    ethylene glycol 9.9
    NMP 1215.47
    cyclohexane 516.46
    DMSO 1095.87
    n-butyl acetate 993.52
    n-octanol 175.62
    chloroform 1969.75
    n-propyl acetate 1044.16
    acetic acid 203.87
    dichloromethane 2097.05
    cyclohexanone 2154.33
    propylene glycol 44.44
    isopropyl acetate 886.4
    DMAc 1041.54
    2-ethoxyethanol 484.72
    isopentanol 474.07
    n-heptane 99.22
    ethyl formate 360.64
    1,2-dichloroethane 1796.99
    n-hexanol 279.02
    2-methoxyethanol 546.91
    isobutyl acetate 615.31
    tetrachloromethane 427.72
    n-pentyl acetate 845.49
    transcutol 2037.84
    n-heptanol 169.98
    ethylbenzene 268.62
    MIBK 818.01
    2-propoxyethanol 535.74
    tert-butanol 636.06
    MTBE 1067.54
    2-butoxyethanol 416.14
    propionic acid 249.07
    o-xylene 299.87
    formic acid 25.66
    diethyl ether 1048.18
    m-xylene 302.4
    p-xylene 357.23
    chlorobenzene 610.13
    dimethyl carbonate 147.53
    n-octane 39.13
    formamide 69.97
    cyclopentanone 1876.83
    2-pentanone 1162.27
    anisole 506.75
    cyclopentyl methyl ether 1363.07
    gamma-butyrolactone 1405.59
    1-methoxy-2-propanol 620.77
    pyridine 1035.23
    3-pentanone 778.54
    furfural 937.36
    n-dodecane 20.14
    diethylene glycol 161.71
    diisopropyl ether 367.77
    tert-amyl alcohol 597.67
    acetylacetone 1014.79
    n-hexadecane 25.31
    acetophenone 542.62
    methyl propionate 642.18
    isopentyl acetate 885.41
    trichloroethylene 2522.62
    n-nonanol 174.61
    cyclohexanol 681.11
    benzyl alcohol 297.9
    2-ethylhexanol 282.07
    isooctanol 196.11
    dipropyl ether 710.25
    1,2-dichlorobenzene 662.5
    ethyl lactate 249.11
    propylene carbonate 737.86
    n-methylformamide 256.27
    2-pentanol 390.96
    n-pentane 101.63
    1-propoxy-2-propanol 571.66
    1-methoxy-2-propyl acetate 770.72
    2-(2-methoxypropoxy) propanol 367.74
    mesitylene 229.06
    ε-caprolactone 1532.09
    p-cymene 177.69
    epichlorohydrin 1928.72
    1,1,1-trichloroethane 1708.32
    2-aminoethanol 60.39
    morpholine-4-carbaldehyde 1011.52
    sulfolane 1950.57
    2,2,4-trimethylpentane 65.3
    2-methyltetrahydrofuran 1879.95
    n-hexyl acetate 778.07
    isooctane 49.01
    2-(2-butoxyethoxy)ethanol 546.87
    sec-butyl acetate 778.9
    tert-butyl acetate 1043.58
    decalin 137.89
    glycerin 59.38
    diglyme 1248.05
    acrylic acid 138.04
    isopropyl myristate 257.94
    n-butyric acid 689.89
    acetyl acetate 465.7
    di(2-ethylhexyl) phthalate 171.49
    ethyl propionate 864.77
    nitromethane 553.82
    1,2-diethoxyethane 1038.54
    benzonitrile 442.27
    trioctyl phosphate 134.19
    1-bromopropane 1192.94
    gamma-valerolactone 1976.39
    n-decanol 115.51
    triethyl phosphate 290.19
    4-methyl-2-pentanol 255.38
    propionitrile 408.55
    vinylene carbonate 503.51
    1,1,2-trichlorotrifluoroethane 926.83
    DMS 389.24
    cumene 179.5
    2-octanol 167.35
    2-hexanone 907.33
    octyl acetate 298.58
    limonene 358.7
    1,2-dimethoxyethane 1281.49
    ethyl orthosilicate 293.37
    tributyl phosphate 191.2
    diacetone alcohol 784.68
    N,N-dimethylaniline 342.93
    acrylonitrile 352.63
    aniline 365.21
    1,3-propanediol 153.24
    bromobenzene 768.78
    dibromomethane 1495.33
    1,1,2,2-tetrachloroethane 2533.86
    2-methyl-cyclohexyl acetate 563.27
    tetrabutyl urea 284.66
    diisobutyl methanol 214.75
    2-phenylethanol 284.81
    styrene 335.3
    dioctyl adipate 382.11
    dimethyl sulfate 317.79
    ethyl butyrate 819.81
    methyl lactate 179.74
    butyl lactate 419.18
    diethyl carbonate 402.98
    propanediol butyl ether 296.36
    triethyl orthoformate 530.73
    p-tert-butyltoluene 170.12
    methyl 4-tert-butylbenzoate 463.0
    morpholine 1557.83
    tert-butylamine 444.31
    n-dodecanol 84.12
    dimethoxymethane 639.55
    ethylene carbonate 491.45
    cyrene 369.5
    2-ethoxyethyl acetate 813.54
    2-ethylhexyl acetate 727.54
    1,2,4-trichlorobenzene 755.41
    4-methylpyridine 1016.48
    dibutyl ether 642.71
    2,6-dimethyl-4-heptanol 214.75
    DEF 1215.23
    dimethyl isosorbide 838.11
    tetrachloroethylene 1384.53
    eugenol 359.45
    triacetin 626.24
    span 80 371.28
    1,4-butanediol 61.31
    1,1-dichloroethane 1588.72
    2-methyl-1-pentanol 342.93
    methyl formate 161.76
    2-methyl-1-butanol 410.59
    n-decane 46.13
    butyronitrile 594.9
    3,7-dimethyl-1-octanol 228.92
    1-chlorooctane 258.2
    1-chlorotetradecane 75.3
    n-nonane 48.73
    undecane 28.21
    tert-butylcyclohexane 100.78
    cyclooctane 109.22
    cyclopentanol 587.43
    tetrahydropyran 2015.53
    tert-amyl methyl ether 798.27
    2,5,8-trioxanonane 678.45
    1-hexene 443.5
    2-isopropoxyethanol 445.85
    2,2,2-trifluoroethanol 69.41
    methyl butyrate 1186.69

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction